AG0011OT

1363381-22-9 | 2-Azaspiro[3.5]nonane-2-carboxylic acid, 7-oxo-, 1,1-dimethylethyl ester

AG0011OT

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CAS Number	1363381-22-9
Catalog Number	AG0011OT(AGN-PC-0WAGKQ)
Chemical Name	2-Azaspiro[3.5]nonane-2-carboxylic acid, 7-oxo-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl 7-oxo-2-azaspiro[3.5]nonane-2-carboxylate
InChI	InChI=1S/C13H21NO3/c1-12(2,3)17-11(16)14-8-13(9-14)6-4-10(15)5-7-13/h4-9H2,1-3H3
InChI Key	KHCPHQZPEYFYRA-UHFFFAOYSA-N
MDL Number	MFCD22566155
Molecular Formula	C13H21NO3
Molecular Weight	239.3107
SMILES	O=C(N1CC2(CCC(CC2)=O)C1)OC(C)(C)C
Synonyms	1363381-22-9, TERT-BUTYL 7-OXO-2-AZASPIRO[3.5]NONANE-2-CARBOXYLATE, 2-BOC-2-AZASPIRO[3.5]NONAN-7-ONE, AK155090, Boc-2-azaspiro[3.5]nonan-7-one, SCHEMBL16401476, KHCPHQZPEYFYRA-UHFFFAOYSA-N, MFCD22566155, ZINC95635399, AKOS024260894, DS-8199, FCH2891643, PB28905, OR317318, AB0083433, AJ-133369, AX8289685, ST1070413, CS-0048134, Q-4304, F2147-4308, tert-Butyl 7-Oxo-2-aza-spiro[3.5]nonane-2-carboxylate, 2-Azaspiro[3.5]nonane-2-carboxylic acid, 7-oxo-, 1,1-dimethylethyl ester,

Complexity	325
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	239.152g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	239.315g/mol
Monoisotopic Mass	239.152g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	46.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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